methyl 6-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]nicotinic acid methyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O4S2/c1-4-25(5-2)18(26)12-30-21-24-15-9-7-14(10-17(15)31-21)23-19(27)16-8-6-13(11-22-16)20(28)29-3/h6-11H,4-5,12H2,1-3H3,(H,23,27)